2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one

C12H20N2O — CID 55138154

IUPAC2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one
SMILESCC(C)C1=NN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C12H20N2O/c1-9(2)11-8-12(15)14(13-11)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyZWKJRDGVUDJPAS-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.56
Rot. Bonds2

About 2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one

2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one (PubChem CID 55138154) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one
PubChem CID55138154
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one
SMILESCC(C)C1=NN(C2CCCCC2)C(=O)C1
InChIInChI=1S/C12H20N2O/c1-9(2)11-8-12(15)14(13-11)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyZWKJRDGVUDJPAS-UHFFFAOYSA-N
XLogP2.56
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one?
The IUPAC name of 2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one (CID 55138154) is 2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one is CC(C)C1=NN(C2CCCCC2)C(=O)C1.
What is the InChIKey of 2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one?
The InChIKey is ZWKJRDGVUDJPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9(2)11-8-12(15)14(13-11)10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one?
2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one has a molecular weight of 208.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-propan-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 55138154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).